Angel, thank you this is useful for me to understand how to load mutiple unit cells, but as you will see from my last post I think there is something else that has confused me as well, because different CIF files for the same mineral from reliable sources all appear to produce quite different results, and the one example that I have fund that does appears to work correctly also does not have the strangely placed atoms around the edge of the block of unit cells.
steve >>> "Angel Herraez" <[email protected]> 30-Jan-09 1:56 pm >>> Steve, It sees to me that instead of "RELOAD {444 666 1}" what you want may be the next menu entry, "RELOAD {444 666 1}; display 555;" Is it so? And this is what these menu entries do, respectively: save orientation; load "" {444 666 1} ; restore orientation; center; and save orientation; load "" {444 666 1} ; restore orientation; unitcell on; display cell=555; center visible; zoom 200; So, for 3x3x3 cells out of 5x5x5, you may try load "myFile.cif" {333 777 1} ; unitcell on; display cell=444,cell=445,cell=446,cell=454,cell=455,cell=456,cell=464,cell=46 5,cell=466,cell=544,cell=545,cell=546,cell=554,cell=555,cell=556,cell= 564,cell=565,cell=566,cell=644,cell=645,cell=646,cell=654,cell=655,cel l=656,cell=664,cell=665,cell=666; center visible; zoom 200; Or, if the file is already loaded, change the first line for: save orientation; load "" {333 777 1} ; restore orientation; etc. ------------------------------------------------------------------------------ This SF.net email is sponsored by: SourcForge Community SourceForge wants to tell your story. http://p.sf.net/sfu/sf-spreadtheword _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users -- Please note that the views expressed in this e-mail are those of the sender and do not necessarily represent the views of the Macaulay Institute. This email and any attachments are confidential and are intended solely for the use of the recipient(s) to whom they are addressed. If you are not the intended recipient, you should not read, copy, disclose or rely on any information contained in this e-mail, and we would ask you to contact the sender immediately and delete the email from your system. Thank you. Macaulay Institute and Associated Companies, Macaulay Drive, Craigiebuckler, Aberdeen, AB15 8QH. ------------------------------------------------------------------------------ This SF.net email is sponsored by: SourcForge Community SourceForge wants to tell your story. http://p.sf.net/sfu/sf-spreadtheword _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
